Computational characterization of the role of antioxidant potential in the tonifying mechanism of Yang-invigorating Chinese tonifying herbs

碩士 === 國立交通大學 === 生物資訊研究所 === 97 === Chinese tonifying herbs are classified into four categories: Yin-nourishing, Yang-invigorating, Qi-invigorating and Blood-enriching. Yang- and Yin-tonifying herbs are known to promote ATP-generation and exhibit immunomodulatory activity respectively. However, the...

Full description

Bibliographic Details
Main Authors: Chu, Chao-Fang, 朱昭昉
Other Authors: Huang, Hsien-Da
Format: Others
Language:en_US
Online Access:http://ndltd.ncl.edu.tw/handle/07862328319444660343
Description
Summary:碩士 === 國立交通大學 === 生物資訊研究所 === 97 === Chinese tonifying herbs are classified into four categories: Yin-nourishing, Yang-invigorating, Qi-invigorating and Blood-enriching. Yang- and Yin-tonifying herbs are known to promote ATP-generation and exhibit immunomodulatory activity respectively. However, the high antioxidant activity, a supposedly Yin property, in Yang-tonifying herbs was counter-intuitive and remained an unresolved question. In search of the essence of being Yang- and Yin-tonifying, common compounds present in and thus representative of Yang-tonifying herbs were not found. In our machine learning approach using support vector machine (SVM), the derived feature of ex vivo antioxidant activity divided by unit phenolic content was able to distinguish Yang- from Yin-tonifying herbs, suggesting that it is ex vivo antioxidant activity per unit antioxidants that is essentially different between Yang- and Yin-tonifying herbs. To characterize the causal relationship between antioxidant activity and ATP generation within mitochondria, simulations were performed using a validated mathematical model of mitochondrial energetics with ROS metabolism. Both mathematical modeling and metabolic control analysis (MCA) of the mitochondrial system showed a limited influence of antioxidation on ATP generation rate. In the present study, the causal relationship between antioxidant activity and ATP-generation is examined, a novel biochemical feature distinguishing between Yang- and Yin-tonifying herbs presented, and a possible explanation of Yang- and Yin-tonifying herbs being categorized as such in TCM pharmacopoeia proposed. Results from this study also suggest that modern TCM investigations, in terms of TCM’s essence, should be fruitful only if they are based on sufficient cellular or physiological context.